Dpoc-4088
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide
Molecular Identity
Dpoc-4088
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide
PubChem CID: 9955534
2D Structure
Properties
C19H16ClF3N6O2
Molecular Formula
452.80
Molecular Weight
g/mol
452.0975
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
99.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
735
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=NC(=C1)C(CNC2=NC=C(N(C2=O)CC(=O)NCC3=C(C=CC=N3)F)Cl)(F)FIsomeric SMILES
SMILES: C1=CC=NC(=C1)C(CNC2=NC=C(N(C2=O)CC(=O)NCC3=C(C=CC=N3)F)Cl)(F)FSynonyms(20)
DPOC-4088DP-4088DPOC 4088S6MPG81Y84UNII-S6MPG81Y841(2H)-Pyrazineacetamide, 6-chloro-3-[[2,2-difluoro-2-(2-pyridinyl)ethyl]amino]-N-[(3-fluoro-2-pyridinyl)methyl]-2-oxo-1(2H)-PYRAZINEACETAMIDE, 6-CHLORO-3-((2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL)AMINO)-N-((3-FLUORO-2-PYRIDINYL)METHYL)-2-OXO-2-(3-((2,2-DIFLUORO-2-(2-PYRIDYL)ETHYL)AMINO)-6-CHLORO-2-OXOHYDROPYRAZINYL)-N-((3-FLUORO(2-PYRIDYL))METHYL)ACETAMIDE2-(6-CHLORO-3-((2,2-DIFLUORO-2-(2-PYRIDYL)ETHYL)AMINO)-2-OXO-PYRAZIN-1-YL)-N-((3-FLUORO-2-PYRIDYL)METHYL)ACETAMIDERefChem:135747Thrombin Inhibitor 2312904-62-4CHEMBL300542-(6-Chloro-3-((2,2-difluoro-2-(pyridin-2-yl)ethyl)amino)-2-oxopyrazin-1(2H)-yl)-N-((3-fluoropyridin-2-yl)methyl)acetamideAATHXZYXWMKUFC-UHFFFAOYSA-N
Data from PubChem (NCBI)
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Drug Network
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